MMsINC Database Search


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MMsINC code: MMs00865236

Type: Neutral
Formula: C₂₄H₂₆FNO₃

SMILES:

Fc1ccc(cc1)C(CCN(Cc1ccc(OC)cc1)C(=O)CC)c1occc1

InChI:

InChI=1/C24H26FNO3/c1-3-24(27)26(17-18-6-12-21(28-2)13-7-18)15-14-22(23-5-4-16-29-23)19-8-10-20(25)11-9-19/h4-13,16,22H,3,14-15,17H2,1-2H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9445 kcal/mol

Physical Properties
Molecular Weight: 395.474 g/mol	logS: -5.40468	SlogP: 5.6545	Reactive groups: 0

Topological Properties
Globularity: 0.162526	Sterimol/B1: 2.1621	Sterimol/B2: 4.0084	Sterimol/B3: 6.47258
Sterimol/B4: 9.36236	Sterimol/L: 18.5054

Surface and Volume Properties
Accessible surface: 688.29	Positive charged surface: 421.542	Negative charged surface: 266.748	Volume: 392.5
Hydrophobic surface: 629.481	Hydrophilic surface: 58.809

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.